IMP::isd::MolecularDynamicsMover Class Reference

Detailed Description

Modify a set of continuous variables using a MD simulation.

Inheritance diagram for IMP::isd::MolecularDynamicsMover:

Public Member Functions
	MolecularDynamicsMover (Model *m, unsigned nsteps=100, Float timestep=1.)
MolecularDynamics *	get_md () const
unsigned	get_number_of_md_steps () const
void	set_number_of_md_steps (unsigned nsteps)
Public Member Functions inherited from IMP::core::Mover
	Mover (Model *m, std::string name)
Optimizer *	get_optimizer () const
	Get a pointer to the optimizer which has this mover.
virtual ParticlesTemp	get_output_particles () const =0
	Return the set of particles over which moves can be proposed.
virtual ParticlesTemp	propose_move (Float size)=0
	propose a modification
virtual void	reset_move ()=0
	Roll back any changes made to the Particles.
Public Member Functions inherited from IMP::ModelObject
	ModelObject (Model *m, std::string name)
ModelObjectsTemp	get_inputs () const
Model *	get_model () const
ModelObjectsTemp	get_outputs () const
Public Member Functions inherited from IMP::base::Object
std::size_t	__hash__ () const
virtual std::string	get_type_name () const =0
	Return a string identifying the type of the object.
virtual IMP::base::VersionInfo	get_version_info () const =0
	Get information about the module and version of the object.
void	set_check_level (CheckLevel l)
void	set_log_level (LogLevel l)
	Set the logging level used in this object.
void	set_was_used (bool tf) const
void	show (std::ostream &out=std::cout) const
const std::string &	get_name () const
void	set_name (std::string name)

Static Public Member Functions
static MolecularDynamicsMover *	get_from (IMP::base::Object *o)

The documentation for this class was generated from the following files: